Summary

IMPPAT Phytochemical identifier: IMPHY001668

Phytochemical name: 5,6,8-Trihydroxy-7-methylnaphthalene-1,4-dione

Synonymous chemical names:
hydroxydroserone

External chemical identifiers:
CID:141607

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Chemical structure information

SMILES:
O=C1C=CC(=O)c2c1c(O)c(c(c2O)C)O

InChI:
InChI=1S/C11H8O5/c1-4-9(14)7-5(12)2-3-6(13)8(7)11(16)10(4)15/h2-3,14-16H,1H3

InChIKey:
WCGAPGUTYIWMBN-UHFFFAOYSA-N

DeepSMILES:
O=CC=CC=O)cc6cO)ccc6O))C))O

Functional groups:
O=C1C=CC(=O)cc1, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC(=O)c2ccccc21

Scaffold Graph/Node level:
OC1CCC(O)C2CCCCC12

Scaffold Graph level:
CC1CCC(C)C2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Naphthalenes

ClassyFire Subclass: Naphthoquinones

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Naphthalenes

NP Classifier Class: Naphthoquinones

NP-Likeness score: 1.637

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Chemical structure download